CID 11675244

884033-66-3

Structural Information

Molecular Formula
C21H16FN3O3
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=NC4=C(N3)C=C(C=C4)F)C(=O)O
InChI
InChI=1S/C21H16FN3O3/c22-15-7-8-16-17(10-15)24-19(23-16)11-18(21(27)28)25-20(26)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18H,11H2,(H,23,24)(H,25,26)(H,27,28)/t18-/m1/s1
InChIKey
NKMPZFCFXCJBEY-GOSISDBHSA-N
Compound name
(2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-(naphthalene-2-carbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.11758 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.12486 185.3
[M+Na]+ 400.10680 192.4
[M-H]- 376.11030 187.9
[M+NH4]+ 395.15140 196.0
[M+K]+ 416.08074 185.8
[M+H-H2O]+ 360.11484 175.4
[M+HCOO]- 422.11578 201.1
[M+CH3COO]- 436.13143 193.8
[M+Na-2H]- 398.09225 188.0
[M]+ 377.11703 184.4
[M]- 377.11813 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.